N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

C17H14N4O4 — CID 38484159

IUPACN-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H14N4O4/c1-25-16-8-3-2-7-14(16)18-17(22)15-9-10-20(19-15)12-5-4-6-13(11-12)21(23)24/h2-11H,1H3,(H,18,22)
InChIKeyWAUCIXWRSIQXPP-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.04
Rot. Bonds5

About N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 38484159) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
PubChem CID38484159
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H14N4O4/c1-25-16-8-3-2-7-14(16)18-17(22)15-9-10-20(19-15)12-5-4-6-13(11-12)21(23)24/h2-11H,1H3,(H,18,22)
InChIKeyWAUCIXWRSIQXPP-UHFFFAOYSA-N
XLogP3.04
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55890839
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38493707
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55667928
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55667115
N-[2-methyl-5-(propanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 46467564
N-(3-fluoro-4-methylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38417021
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55668470
N-(3-ethynylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38482435
4-methoxy-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 120703063
N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 60959424
3-methyl-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119170073
1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 46437483

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide (CID 38484159) is N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide is COc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is WAUCIXWRSIQXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-25-16-8-3-2-7-14(16)18-17(22)15-9-10-20(19-15)12-5-4-6-13(11-12)21(23)24/h2-11H,1H3,(H,18,22).
What are the key properties of N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38484159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).